3-(methylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one

C19H16F3NO — CID 15672501

IUPAC3-(methylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)C1
InChIInChI=1S/C19H16F3NO/c1-23-16-11-15(12-6-3-2-4-7-12)18(24)17(16)13-8-5-9-14(10-13)19(20,21)22/h2-10,15,23H,11H2,1H3
InChIKeyGBHIYHXKKRQBDQ-UHFFFAOYSA-N
MW331.34 g/mol
LogP4.39
Rot. Bonds3

About 3-(methylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one

3-(methylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (PubChem CID 15672501) has the molecular formula C19H16F3NO and a molecular weight of 331.34 g/mol. Its IUPAC name is 3-(methylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(methylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
PubChem CID15672501
Molecular FormulaC19H16F3NO
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name3-(methylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)C1
InChIInChI=1S/C19H16F3NO/c1-23-16-11-15(12-6-3-2-4-7-12)18(24)17(16)13-8-5-9-14(10-13)19(20,21)22/h2-10,15,23H,11H2,1H3
InChIKeyGBHIYHXKKRQBDQ-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The IUPAC name of 3-(methylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (CID 15672501) is 3-(methylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-(methylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-(methylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is CNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)C1.
What is the InChIKey of 3-(methylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The InChIKey is GBHIYHXKKRQBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO/c1-23-16-11-15(12-6-3-2-4-7-12)18(24)17(16)13-8-5-9-14(10-13)19(20,21)22/h2-10,15,23H,11H2,1H3.
What are the key properties of 3-(methylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
3-(methylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one has a molecular weight of 331.34 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is sourced from PubChem (CID 15672501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).